| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 24 | Yes |
Popular Name: [(3S,4R)-3-ethyl-4-hydroxy-4-methyl-1-piperidyl]-(6-fluoro-4-hydroxy-3-quinolyl)methanone [(3S,4R)-3-ethyl-4-hydroxy-4-met…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.05 | 5.02 | -24.49 | 2 | 5 | 0 | 73 | 332.375 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 3.6 | -51.04 | 1 | 5 | -1 | 76 | 331.367 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
